SCHEMBL12697498

SCHEMBL12697498

O=C(C[C@H]1CC[C@H](C(=O)O)CC1)N1CCc2c(n(Cc3ccc(C(F)(F)F)s3)c3ncccc23)C1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 20/20 0.79

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bicarbonate SCHEMBL17907732 0.92 ENPP2 (0.81) ENPP2
Bicarbonate SCHEMBL17907642 0.92 ENPP2 (0.80) ENPP2
Bicarbonate SCHEMBL17907653 0.92 ENPP2 (0.80) ENPP2
Bicarbonate SCHEMBL17907634 0.92 ENPP2 (0.80) ENPP2
SCHEMBL14891279 0.90 ENPP2 (0.73) ENPP2
SCHEMBL14892657 0.90 ENPP2 (0.73) ENPP2
SCHEMBL14891257 0.89 ENPP2 (0.71) ENPP2
SCHEMBL14892471 0.89 ENPP2 (0.71) ENPP2
SCHEMBL12697560 0.88 ENPP2 (1.00) ENPP2
SCHEMBL17907665 0.88 ENPP2 (0.68) ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862721-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-01-09 US disclosed
EP-2687531-B1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2016-07-13 EP disclosed
US-9353113-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-31 US disclosed
US-9353113-B2 Tetrahydrocarboline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2016-05-31 US disclosed
US-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-02-04 US disclosed
US-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-02-04 US disclosed
EP-2687531-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
WO-2012127885-A1 TETRAHYDROCARBOLINE DERIVATIVE 小野薬品工業株式会社 (JP) 2012-09-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160031884-A1 TETRAHYDROCARBOLINE DERIVATIVE ENPP2, ENPP1, ACER2 ENPP2 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.